4-(3,5-difluorophenyl)oxane-4-carboxamide

C12H13F2NO2 — CID 66657408

IUPAC4-(3,5-difluorophenyl)oxane-4-carboxamide
SMILESNC(=O)C1(c2cc(F)cc(F)c2)CCOCC1
InChIInChI=1S/C12H13F2NO2/c13-9-5-8(6-10(14)7-9)12(11(15)16)1-3-17-4-2-12/h5-7H,1-4H2,(H2,15,16)
InChIKeyZQFNTGNXQQNFHP-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.50
Rot. Bonds2

About 4-(3,5-difluorophenyl)oxane-4-carboxamide

4-(3,5-difluorophenyl)oxane-4-carboxamide (PubChem CID 66657408) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)oxane-4-carboxamide
PubChem CID66657408
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name4-(3,5-difluorophenyl)oxane-4-carboxamide
SMILESNC(=O)C1(c2cc(F)cc(F)c2)CCOCC1
InChIInChI=1S/C12H13F2NO2/c13-9-5-8(6-10(14)7-9)12(11(15)16)1-3-17-4-2-12/h5-7H,1-4H2,(H2,15,16)
InChIKeyZQFNTGNXQQNFHP-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyltetrahydro-2H-pyran-4-carboxamide
CID 2236132
2-(4-Fluorophenyl)-4-hydroxybutanamide
CID 22013235
4-(4-fluorophenyl)-N-methyloxane-4-carboxamide
CID 47390571
4-(4-fluorophenyl)tetrahydro-2H-pyran-4-carboxamide
CID 50895871
(2R)-2-(4-fluorophenyl)-4-hydroxybutanamide
CID 54203349
(2S)-2-(4-fluorophenyl)-4-hydroxybutanamide
CID 54203350
(3R,4S)-4-(2-fluorophenyl)-3-(methoxymethoxymethyl)oxane-4-carboxamide
CID 57827213
4-(3-bromo-2-fluorophenyl)tetrahydro-2H-pyran-4-carboxamide
CID 66657492
4-(3-bromo-2,5-difluorophenyl)tetrahydro-2H-pyran-4-carboxamide
CID 66657502
4-(2,4-Difluorophenyl)oxane-4-carboxamide
CID 67504701
4-(3-Fluorophenyl)oxane-4-carboxamide
CID 67504933
(3R,4S)-3-(dimethoxymethyl)-4-(2-fluorophenyl)oxane-4-carboxamide
CID 68446606

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)oxane-4-carboxamide?
The IUPAC name of 4-(3,5-difluorophenyl)oxane-4-carboxamide (CID 66657408) is 4-(3,5-difluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(3,5-difluorophenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(3,5-difluorophenyl)oxane-4-carboxamide is NC(=O)C1(c2cc(F)cc(F)c2)CCOCC1.
What is the InChIKey of 4-(3,5-difluorophenyl)oxane-4-carboxamide?
The InChIKey is ZQFNTGNXQQNFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-9-5-8(6-10(14)7-9)12(11(15)16)1-3-17-4-2-12/h5-7H,1-4H2,(H2,15,16).
What are the key properties of 4-(3,5-difluorophenyl)oxane-4-carboxamide?
4-(3,5-difluorophenyl)oxane-4-carboxamide has a molecular weight of 241.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 66657408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).